Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We show that when the isothermal compressibility is small, the DDFT generates the correct value for the speed of sound in a dense liquid. We also interpret the theory as a dynamical equation for a coarse grained fluid density and show that the theory can be used (making further approximations) to derive the standard mode coupling theory that is used to describe the glass transition. The present theory should provide a useful starting point for describing the dynamics of inhomogeneous atomic fluids.
Funding
EPSRC grant number GR/S28631/01
History
School
Science
Department
Mathematical Sciences
Published in
Journal of Physics Condensed Matter
Volume
18
Issue
24
Pages
5617 - 5628
Citation
ARCHER, A.J., 2006. Dynamical density functional theory for dense atomic liquids. Journal of Physics Condensed Matter, 18 (24), pp. 5617 - 5628.
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